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CS-W001157 4
Total: USD 88.00

2,4-Di-tert-Butyl-6-nitrophenol

  • CAS No. 20039-94-5

  • Cat. No. CS-0216452
  • Molecule weight251.32
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

2,4-Di-tert-Butyl-6-nitrophenol|CS-0216452

Structure of 20039-94-5

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General Information

  • CAS No. 20039-94-5
  • Cat. No. CS-0216452
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₁NO₃
  • Molecular Weight 251.32
  • Synonym(s) 3,5-Bis(tert-butyl)-2-hydroxynitrobenzene
  • SMILES OC1=C([N+]([O-])=O)C=C(C(C)(C)C)C=C1C(C)(C)C

Synthesis

  • Route1

    References

    • Kim, Sunghee; Siegler, Maxime A.; Karlin, Kenneth D. Chemical Communications, 2014 , vol. 50, # 22 p. 2844 - 2846
  • Route2
    • null|null
      162257-76-3
    • In-stock
      2,4-Di-tert-butylphenol|CS-W015305
      96-76-4
    • ~82%
    • null|null
      98716-00-8
    • 2,4-Di-tert-Butyl-6-nitrophenol|CS-0216452
      20039-94-5

    References

    • Schopfer, Mark P.; Mondal, Biplab; Lee, Dong-Heon; Sarjeant, Amy A. N.; Karlin, Kenneth D. Journal of the American Chemical Society, 2009 , vol. 131, # 32 p. 11304 - 11305
  • Route3

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302+H312+H332-H319-H413
Precautionary Statements : P260-P271-P280

Quality Control

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   3.8954
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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